1-isoquinolin-5-ylsulfonyl-N-(phenylmethyl)piperidin-4-amine

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-1-(5-isoquinolylsulfonyl)piperidin-4-amine CAS Name: 1-(5-isoquinolinylsulfonyl)-N-(phenylmethyl)-4-piperidinamine IUPAC Name: N-benzyl-1-isoquinolin-5-ylsulfonylpiperidin-4-amine Traditional Name: benzyl-[1-(5-isoquinolylsulfonyl)-4-piperidyl]amine Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCC1NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H23N3O2S/c25-27(26,21-8-4-7-18-16-22-12-9-20(18)21)24-13-10-19(11-14-24)23-15-17-5-2-1-3-6-17/h1-9,12,16,19,23H,10-11,13-15H2